Glass to crystal transformation in the ternary BaO-Nb2O5-P2O5 system

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F17%3A39910789" target="_blank" >RIV/00216275:25310/17:39910789 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.molstruc.2017.04.112" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2017.04.112</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2017.04.112" target="_blank" >10.1016/j.molstruc.2017.04.112</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Glass to crystal transformation in the ternary BaO-Nb2O5-P2O5 system

Popis výsledku v původním jazyce

Study of the glass to crystal transformation was realized for two ternary compounds belonging to the glass-forming region of the BaO-Nb2O5-P2O5 system: Ba3Nb2(PO4)(4)O-2 with 16.66 mol% Nb2O5 (glass composition 3BaO center dot 1Nb(2)O(5)center dot 2P(2)O(5)) and BaNb2P2O11 with 33.33 mol% Nb2O5 (glass composition 1BaO center dot 1Nb(2)O(5)center dot 2P(2)O(5)). Physico-chemical properties of the corresponding glasses and crystals were compared, as well as their Raman, P-31 and Nb-93 NMR spectra. The density of polycrystalline samples is higher by 0.24-0.25 g cm(-3) than the density of the corresponding glasses. P-31 MAS NMR spectra show a close similarity of phosphorus environments in glasses and the corresponding crystalline samples. High field (18.8T) NMR and Nb-93 decoupling were necessary to obtain enough resolution on P-31 NMR spectra to separate the 2 different short range environments of phosphorus atoms in Ba3Nb2(PO4)(4)O-2. Static Nb-93 NMR spectra showed the presence of distorted NbO6 octahedra both in the 3BaO center dot 1Nb(2)O(5)center dot 2P(2)O(5) glass and the corresponding Ba3Nb2(PO4)(4)O-2 crystals, while the presence of more symmetric NbO6 octahedra was detected in the BaNb2P2O11 compound, which is in accordance with the crystalline structures. Raman and NMR spectra showed similar short-range structural features in glasses and polycrystalline samples, whereas Raman spectra could detect some differences in the medium-range order of the BaO center dot Nb2O5 center dot P2O5 glass and the corresponding BaNb2P2O11 crystal.

Název v anglickém jazyce

Glass to crystal transformation in the ternary BaO-Nb2O5-P2O5 system

Popis výsledku anglicky

Study of the glass to crystal transformation was realized for two ternary compounds belonging to the glass-forming region of the BaO-Nb2O5-P2O5 system: Ba3Nb2(PO4)(4)O-2 with 16.66 mol% Nb2O5 (glass composition 3BaO center dot 1Nb(2)O(5)center dot 2P(2)O(5)) and BaNb2P2O11 with 33.33 mol% Nb2O5 (glass composition 1BaO center dot 1Nb(2)O(5)center dot 2P(2)O(5)). Physico-chemical properties of the corresponding glasses and crystals were compared, as well as their Raman, P-31 and Nb-93 NMR spectra. The density of polycrystalline samples is higher by 0.24-0.25 g cm(-3) than the density of the corresponding glasses. P-31 MAS NMR spectra show a close similarity of phosphorus environments in glasses and the corresponding crystalline samples. High field (18.8T) NMR and Nb-93 decoupling were necessary to obtain enough resolution on P-31 NMR spectra to separate the 2 different short range environments of phosphorus atoms in Ba3Nb2(PO4)(4)O-2. Static Nb-93 NMR spectra showed the presence of distorted NbO6 octahedra both in the 3BaO center dot 1Nb(2)O(5)center dot 2P(2)O(5) glass and the corresponding Ba3Nb2(PO4)(4)O-2 crystals, while the presence of more symmetric NbO6 octahedra was detected in the BaNb2P2O11 compound, which is in accordance with the crystalline structures. Raman and NMR spectra showed similar short-range structural features in glasses and polycrystalline samples, whereas Raman spectra could detect some differences in the medium-range order of the BaO center dot Nb2O5 center dot P2O5 glass and the corresponding BaNb2P2O11 crystal.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/GA13-00355S" target="_blank" >GA13-00355S: Vícesložková fosforečnanová a borofosforečnanová skla</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

—

Svazek periodika

1143

Číslo periodika v rámci svazku

September

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

472-477

Kód UT WoS článku

000403122700053

EID výsledku v databázi Scopus

—